[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate

C16H19N5O4 — CID 42921235

IUPAC[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate
SMILESCOc1ccccc1Nc1nc(N)nc(COC(=O)C2CCCO2)n1
InChIInChI=1S/C16H19N5O4/c1-23-11-6-3-2-5-10(11)18-16-20-13(19-15(17)21-16)9-25-14(22)12-7-4-8-24-12/h2-3,5-6,12H,4,7-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyIVQXGNCGPABVCN-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.43
Rot. Bonds6

About [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate

[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate (PubChem CID 42921235) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate
PubChem CID42921235
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate
SMILESCOc1ccccc1Nc1nc(N)nc(COC(=O)C2CCCO2)n1
InChIInChI=1S/C16H19N5O4/c1-23-11-6-3-2-5-10(11)18-16-20-13(19-15(17)21-16)9-25-14(22)12-7-4-8-24-12/h2-3,5-6,12H,4,7-9H2,1H3,(H3,17,18,19,20,21)
InChIKeyIVQXGNCGPABVCN-UHFFFAOYSA-N
XLogP1.43
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46509712
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34786138
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
CID 27028087
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 46641448
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 46641840
2-N-(2-methoxyphenyl)-6-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41024203
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate
CID 9380142
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42903849
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 24523927
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 27028101

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate?
The IUPAC name of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate (CID 42921235) is [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate.
What is the SMILES notation for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate?
The canonical SMILES for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate is COc1ccccc1Nc1nc(N)nc(COC(=O)C2CCCO2)n1.
What is the InChIKey of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate?
The InChIKey is IVQXGNCGPABVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-23-11-6-3-2-5-10(11)18-16-20-13(19-15(17)21-16)9-25-14(22)12-7-4-8-24-12/h2-3,5-6,12H,4,7-9H2,1H3,(H3,17,18,19,20,21).
What are the key properties of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate?
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate is sourced from PubChem (CID 42921235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).